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4-[ (2-Chlorophenoxy) methyl]piperidine

CAT: 0024-sc-315106Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-315106Size:500 mg
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CAS Number
63608-31-1

Chemical Information

4-[(2-Chlorophenoxy)methyl]piperidine
CAS Number63608-31-1
PubChem CID17178043
IUPAC Name4-[(2-chlorophenoxy)methyl]piperidine
Molecular FormulaC12H16ClNO
Molecular Weight225.71
XLogP2.8
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity182
SMILES
C1CNCCC1COC2=CC=CC=C2Cl
InChI
InChI=1S/C12H16ClNO/c13-11-3-1-2-4-12(11)15-9-10-5-7-14-8-6-10/h1-4,10,14H,5-9H2
InChIKey
YEDQERJRGLCJKY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[(2-Chlorophenoxy)methyl]piperidine
CAS: 63608-31-1
CID: 17178043
Formula: C12H16ClNO
MW: 225.71
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight225.71
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass225.0920418
Monoisotopic Mass225.0920418
Topological Polar Surface Area21.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity182
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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